⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11954724 | 1.00 | — | — | |
| SCHEMBL11894948 | 1.00 | — | — | |
| SCHEMBL11954723 | 1.00 | — | — | |
| SCHEMBL9645463 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL3545919 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL11954728 | 0.73 | — | — | |
| SCHEMBL11954727 | 0.73 | — | — | |
| SCHEMBL9091676 | 0.69 | — | — | |
| SCHEMBL9351569 | 0.67 | — | — | |
| SCHEMBL9351330 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120196894-A1 | NOVEL TRPA1 ANTAGONISTS | SCHERING CORPORATION | 2012-08-02 | — | — | US | disclosed |
| WO-2011043954-A1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-04-14 | — | — | WO | disclosed |